Local Dynamics of Polyethylene and Its Oligomers: A Molecular Dynamics Interpretation of the Incoherent Dynamic Structure Factor

Macromolecules ◽

10.1021/ma0256789 ◽

2003 ◽

Vol 36 (23) ◽

pp. 8864-8875 ◽

Author(s):

G. Arialdi ◽

K. Karatasos ◽

J.-P. Ryckaert ◽

V. Arrighi ◽

F. Saggio ◽

...

Keyword(s):

Molecular Dynamics ◽

Structure Factor ◽

Dynamic Structure ◽

Dynamic Structure Factor ◽

Download Full-text

Dynamic structure factor in a nonequilibrium fluid: A molecular-dynamics approach

Physical Review A ◽

10.1103/physreva.45.7180 ◽

1992 ◽

Vol 45 (10) ◽

pp. 7180-7183 ◽

Author(s):

M. Mareschal ◽

M. Malek Mansour ◽

G. Sonnino ◽

E. Kestemont

Keyword(s):

Molecular Dynamics ◽

Structure Factor ◽

Dynamic Structure ◽

Dynamic Structure Factor

Download Full-text

Molecular dynamics study of the incoherent and coherent contributions to the total dynamic structure factor of molten NaI

Journal of Molecular Liquids ◽

10.1016/j.molliq.2007.08.022 ◽

2007 ◽

Vol 136 (3) ◽

pp. 227-235 ◽

Author(s):

Olga Alcaraz ◽

Joaquim Trullàs

Keyword(s):

Molecular Dynamics ◽

Structure Factor ◽

Dynamic Structure ◽

Dynamic Structure Factor

Download Full-text

Molecular-dynamics simulation for the dynamic-structure factor of commensurate krypton on graphite

Physical Review B ◽

10.1103/physrevb.44.3297 ◽

1991 ◽

Vol 44 (7) ◽

pp. 3297-3303 ◽

Author(s):

N. D. Shrimpton ◽

W. A. Steele

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Structure Factor ◽

Dynamic Structure ◽

Dynamic Structure Factor ◽

Dynamics Simulation

Download Full-text

Unraveling the coherent dynamic structure factor of liquid water at the mesoscale by molecular dynamics simulations

The Journal of Chemical Physics ◽

10.1063/5.0074588 ◽

2021 ◽

Vol 155 (24) ◽

pp. 244509

Author(s):

Fernando Alvarez ◽

Arantxa Arbe ◽

Juan Colmenero

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Liquid Water ◽

Structure Factor ◽

Dynamic Structure ◽

Dynamic Structure Factor ◽

Dynamics Simulations

Download Full-text

Density expansion of the dynamic structure factor from molecular dynamics simulation

Journal of Molecular Structure ◽

10.1016/0022-2860(93)80137-k ◽

1993 ◽

Vol 296 (3) ◽

pp. 221-227 ◽

Author(s):

Ubaldo Bafile ◽

Fabrizio Barocchi ◽

Martin Neumann

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Structure Factor ◽

Dynamic Structure ◽

Dynamic Structure Factor ◽

Dynamics Simulation ◽

Density Expansion

Download Full-text

Collective Features in Polyisobutylene. A Study of the Static and Dynamic Structure Factor by Molecular Dynamics Simulations

Macromolecules ◽

10.1021/ma401669y ◽

2013 ◽

Vol 47 (1) ◽

pp. 447-459 ◽

Author(s):

Y. Khairy ◽

F. Alvarez ◽

A. Arbe ◽

J. Colmenero

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Structure Factor ◽

Dynamic Structure ◽

Dynamic Structure Factor ◽

Dynamics Simulations

Download Full-text

Calculation of the coherent dynamic structure factor of polyisoprene from molecular dynamics simulations

Physical Review E ◽

10.1103/physreve.59.623 ◽

1999 ◽

Vol 59 (1) ◽

pp. 623-630 ◽

Author(s):

Neil E. Moe ◽

M. D. Ediger

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Structure Factor ◽

Dynamic Structure ◽

Dynamic Structure Factor ◽

Dynamics Simulations

Download Full-text

A molecular dynamics simulation study of the α-relaxation in a 1,4-polybutadiene melt as probed by the coherent dynamic structure factor

The Journal of Chemical Physics ◽

10.1063/1.1781114 ◽

2004 ◽

Vol 121 (10) ◽

pp. 4961-4967 ◽

Author(s):

Grant D. Smith ◽

Dmitry Bedrov ◽

Wolfgang Paul

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Structure Factor ◽

Dynamic Structure ◽

Dynamic Structure Factor ◽

Dynamics Simulation ◽

Polybutadiene Melt

Download Full-text

Single Chain Dynamic Structure Factor of Poly(ethylene oxide) in Dynamically Asymmetric Blends with Poly(methyl methacrylate). Neutron Scattering and Molecular Dynamics Simulations

Macromolecules ◽

10.1021/ma2016634 ◽

2011 ◽

Vol 45 (1) ◽

pp. 536-542 ◽

Author(s):

Martin Brodeck ◽

Fernando Alvarez ◽

Juan Colmenero ◽

Dieter Richter

Keyword(s):

Molecular Dynamics ◽

Ethylene Oxide ◽

Structure Factor ◽

Dynamic Structure ◽

Dynamic Structure Factor ◽

Single Chain ◽

Chain Dynamic ◽

Poly Ethylene Oxide ◽

Poly Ethylene ◽

Dynamics Simulations

Download Full-text

Temperature dependence of the dynamic structure factor and the stability of a supercooled liquid: A molecular-dynamics study of liquid rubidium

Physical Review A ◽

10.1103/physreva.28.370 ◽

1983 ◽

Vol 28 (1) ◽

pp. 370-372 ◽

Author(s):

Raymond D. Mountain ◽

P. K. Basu

Keyword(s):

Molecular Dynamics ◽

Temperature Dependence ◽

Structure Factor ◽

Dynamic Structure ◽

Supercooled Liquid ◽

Dynamic Structure Factor ◽

Download Full-text